LX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C02 | sing | 1.38Å | 1.43Å | |
| S04 | C02 | sing | 1.70Å | 1.61Å | Aromatic |
| S04 | C05 | sing | 1.76Å | 1.54Å | Aromatic |
| C02 | C01 | doub | 1.37Å | 1.52Å | Aromatic |
| C05 | C10 | sing | 1.52Å | 1.54Å | |
| C05 | C03 | doub | 1.34Å | 1.57Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.42Å | |
| C01 | C03 | sing | 1.45Å | 1.58Å | Aromatic |
| C01 | C06 | sing | 1.43Å | 1.49Å | |
| C03 | C09 | sing | 1.52Å | 1.53Å | |
| C12 | C11 | sing | 1.52Å | 1.46Å | |
| C06 | N07 | trip | 1.14Å | 1.14Å | |
| C11 | C09 | sing | 1.53Å | 1.41Å | |
| N08 | H1 | sing | 0.97Å | 1.00Å | |
| N08 | H2 | sing | 0.97Å | 1.00Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C02 | S04 | 125.5° | 124.7° |
| N08 | C02 | C01 | 126.3° | 124.6° |
| C02 | N08 | H1 | 109.5° | 120.0° |
| C02 | N08 | H2 | 109.5° | 120.0° |
| C02 | S04 | C05 | 107.5° | 92.8° |
| S04 | C02 | C01 | 108.2° | 110.7° |
| S04 | C05 | C10 | 134.7° | 124.9° |
| S04 | C05 | C03 | 108.0° | 110.8° |
| C02 | C01 | C03 | 108.1° | 113.3° |
| C02 | C01 | C06 | 126.7° | 123.3° |
| C10 | C05 | C03 | 117.3° | 124.3° |
| C05 | C10 | C12 | 116.1° | 108.8° |
| C05 | C10 | H4 | 107.8° | 109.6° |
| C05 | C10 | H8 | 107.8° | 109.6° |
| C05 | C03 | C01 | 108.2° | 112.4° |
| C05 | C03 | C09 | 117.6° | 123.5° |
| C10 | C12 | C11 | 117.6° | 109.4° |
| C12 | C10 | H4 | 107.8° | 109.5° |
| C10 | C12 | H6 | 107.4° | 109.5° |
| C12 | C10 | H8 | 107.8° | 109.6° |
| C10 | C12 | H10 | 107.4° | 109.5° |
| C03 | C01 | C06 | 125.1° | 123.3° |
| C01 | C03 | C09 | 134.3° | 124.1° |
| C01 | C06 | N07 | 179.3° | 180.0° |
| C03 | C09 | C11 | 115.7° | 108.8° |
| C03 | C09 | H3 | 107.9° | 109.6° |
| C03 | C09 | H7 | 107.9° | 109.6° |
| C12 | C11 | C09 | 116.8° | 109.4° |
| C12 | C11 | H5 | 107.6° | 109.6° |
| C11 | C12 | H6 | 107.4° | 109.8° |
| C12 | C11 | H9 | 107.6° | 109.3° |
| C11 | C12 | H10 | 107.4° | 109.0° |
| C11 | C09 | H3 | 107.9° | 109.6° |
| C09 | C11 | H5 | 107.6° | 109.5° |
| C11 | C09 | H7 | 107.9° | 109.7° |
| C09 | C11 | H9 | 107.6° | 109.5° |
| H1 | N08 | H2 | 109.4° | 120.0° |
| H3 | C09 | H7 | 109.5° | 109.6° |
| H4 | C10 | H8 | 109.5° | 109.7° |
| H5 | C11 | H9 | 109.5° | 109.5° |
| H6 | C12 | H10 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C02 | S04 | C01 | 179.5° | 180.0° |
| N08 | C02 | S04 | C05 | 179.8° | 179.8° |
| N08 | C02 | C01 | C03 | 179.8° | 180.0° |
| N08 | C02 | C01 | C06 | 0.3° | 0.3° |
| C02 | N08 | H1 | H2 | 120.0° | 180.0° |
| C02 | S04 | C05 | C10 | 179.8° | 180.0° |
| C02 | S04 | C05 | C03 | 0.1° | 0.3° |
| S04 | C02 | C01 | C03 | 0.3° | 0.0° |
| S04 | C02 | C01 | C06 | 179.8° | 179.7° |
| S04 | C02 | N08 | H1 | 0.0° | 180.0° |
| S04 | C02 | N08 | H2 | 120.0° | 0.0° |
| C05 | S04 | C02 | C01 | 0.2° | 0.1° |
| S04 | C05 | C10 | C03 | 179.9° | 179.7° |
| S04 | C05 | C10 | C12 | 169.3° | 163.4° |
| S04 | C05 | C03 | C01 | 0.1° | 0.3° |
| S04 | C05 | C03 | C09 | 179.7° | 179.7° |
| S04 | C05 | C10 | H4 | 69.7° | 76.8° |
| S04 | C05 | C10 | H8 | 48.3° | 43.6° |
| C02 | C01 | C03 | C05 | 0.2° | 0.2° |
| C02 | C01 | C03 | C06 | 179.9° | 179.7° |
| C02 | C01 | C03 | C09 | 179.8° | 179.7° |
| C02 | C01 | C06 | N07 | 177.0° | 142.4° |
| C01 | C02 | N08 | H1 | 179.4° | 0.0° |
| C01 | C02 | N08 | H2 | 59.5° | 180.0° |
| C05 | C10 | C12 | H4 | 121.0° | 119.8° |
| C05 | C10 | C12 | H8 | 121.0° | 119.8° |
| C10 | C05 | C03 | C01 | 180.0° | 179.9° |
| C10 | C05 | C03 | C09 | 0.3° | 0.1° |
| C05 | C10 | C12 | C11 | 36.7° | 49.5° |
| C05 | C10 | H4 | H8 | 116.9° | 120.4° |
| C05 | C10 | C12 | H6 | 157.8° | 169.9° |
| C05 | C10 | C12 | H10 | 84.5° | 69.9° |
| C03 | C05 | C10 | C12 | 10.6° | 16.3° |
| C05 | C03 | C01 | C09 | 179.6° | 180.0° |
| C05 | C03 | C01 | C06 | 179.9° | 179.9° |
| C05 | C03 | C09 | C11 | 14.3° | 17.2° |
| C05 | C03 | C09 | H3 | 106.6° | 102.6° |
| C03 | C05 | C10 | H4 | 110.3° | 103.5° |
| C05 | C03 | C09 | H7 | 135.2° | 137.1° |
| C03 | C05 | C10 | H8 | 131.6° | 136.1° |
| C10 | C12 | C11 | H6 | 121.2° | 120.2° |
| C10 | C12 | C11 | H10 | 121.2° | 119.7° |
| C10 | C12 | C11 | C09 | 54.0° | 69.9° |
| C12 | C10 | H4 | H8 | 117.0° | 120.3° |
| C10 | C12 | C11 | H5 | 67.0° | 170.0° |
| C10 | C12 | H6 | H10 | 116.3° | 120.2° |
| C10 | C12 | C11 | H9 | 175.1° | 50.0° |
| C03 | C01 | C06 | N07 | 3.0° | 38.0° |
| C01 | C03 | C09 | C11 | 165.2° | 162.9° |
| C01 | C03 | C09 | H3 | 73.8° | 77.4° |
| C01 | C03 | C09 | H7 | 44.3° | 42.9° |
| C06 | C01 | C03 | C09 | 0.3° | 0.0° |
| C03 | C09 | C11 | C12 | 40.3° | 50.5° |
| C03 | C09 | C11 | H3 | 120.9° | 119.8° |
| C03 | C09 | C11 | H7 | 120.9° | 119.8° |
| C03 | C09 | H3 | H7 | 117.1° | 120.3° |
| C03 | C09 | C11 | H5 | 80.8° | 170.6° |
| C03 | C09 | C11 | H9 | 161.3° | 69.3° |
| C12 | C11 | C09 | H5 | 121.0° | 120.1° |
| C12 | C11 | C09 | H9 | 121.1° | 119.8° |
| C12 | C11 | C09 | H3 | 80.6° | 69.3° |
| C11 | C12 | C10 | H4 | 84.3° | 70.3° |
| C12 | C11 | H5 | H9 | 116.7° | 119.9° |
| C11 | C12 | H6 | H10 | 116.3° | 119.7° |
| C12 | C11 | C09 | H7 | 161.2° | 170.3° |
| C11 | C12 | C10 | H8 | 157.6° | 169.4° |
| C11 | C09 | H3 | H7 | 117.2° | 120.5° |
| C09 | C11 | H5 | H9 | 116.7° | 120.1° |
| C09 | C11 | C12 | H6 | 175.2° | 169.9° |
| C09 | C11 | C12 | H10 | 67.1° | 49.8° |
| H3 | C09 | C11 | H5 | 158.3° | 50.8° |
| H3 | C09 | C11 | H9 | 40.4° | 170.9° |
| H4 | C10 | C12 | H6 | 36.9° | 50.1° |
| H4 | C10 | C12 | H10 | 154.5° | 170.3° |
| H5 | C11 | C12 | H6 | 54.2° | 49.8° |
| H5 | C11 | C09 | H7 | 40.1° | 69.6° |
| H5 | C11 | C12 | H10 | 171.8° | 70.3° |
| H6 | C12 | C10 | H8 | 81.2° | 70.3° |
| H6 | C12 | C11 | H9 | 63.7° | 70.2° |
| H7 | C09 | C11 | H9 | 77.8° | 50.5° |
| H8 | C10 | C12 | H10 | 36.5° | 49.9° |
| H9 | C11 | C12 | H10 | 54.0° | 169.7° |
